2-methyl-N-[(1S,2S)-1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]benzamide

Systemtic Name: 2-methyl-N-[(1S,2S)-1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]benzamide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfanylphenyl)ethyl]-2-methyl-benzamide CAS Name: N-[(1S,2S)-1,3-dihydroxy-1-[4-(methylthio)phenyl]propan-2-yl]-2-methylbenzamide IUPAC Name: N-[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methylol-2-[4-(methylthio)phenyl]ethyl]-2-methyl-benzamide Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CO)C(C2=CC=C(C=C2)SC)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](CO)[C@H](C2=CC=C(C=C2)SC)O

InChI

InChI=1S/C18H21NO3S/c1-12-5-3-4-6-15(12)18(22)19-16(11-20)17(21)13-7-9-14(23-2)10-8-13/h3-10,16-17,20-21H,11H2,1-2H3,(H,19,22)/t16-,17-/m0/s1